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Genome-Scale Metabolic Modeling Predicts Per- and Polyfluoroalkyl Substance-Mediated Early Perturbations in Liver Metabolism
Assessment of Organic Pollutants Desorbed from Plastic Litter Items Stranded on Cadiz Beaches (SW Spain)
Distribution of Legacy and Emerging PFAS in a Terrestrial Ecosystem Located near a Fluorochemical Manufacturing Facility
Application of the AI-Based Framework for Analyzing the Dynamics of Persistent Organic Pollutants (POPs) in Human Breast Milk
Embryonic Exposure to TPhP Elicits Osteotoxicity via Metabolic Disruption in Oryzias latipes

Journal Description

Toxics

Toxics is an international, peer-reviewed, open access journal on all aspects of the toxic chemicals and materials, published monthly online by MDPI.

Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, PMC, Embase, CAPlus / SciFinder, AGRIS, and other databases.
Journal Rank: JCR - Q1 (Toxicology) / CiteScore - Q1 (Chemical Health and Safety)
Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 18.1 days after submission; acceptance to publication is undertaken in 1.9 days (median values for papers published in this journal in the first half of 2025).
Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.

Impact Factor: 4.1 (2024); 5-Year Impact Factor: 4.6 (2024)

Imprint Information Journal Flyer Open Access ISSN: 2305-6304

Latest Articles

24 pages, 988 KB

Open AccessReview

Environmental Occurrence, Influencing Factors, and Toxic Effects of 6PPD-Q

by Tengwen Yin, Ying Liang, Yanju Liu, Jia Liu and Xuedong Wang

Toxics 2025, 13(11), 906; https://doi.org/10.3390/toxics13110906 (registering DOI) - 22 Oct 2025

The antioxidant N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine (6PPD) is widely incorporated into tires to extend their service life. However, in the presence of ozone, it is readily transformed into N-(1,3-dimethylbutyl)-N′-phenyl-p-benzoquinone (6PPD-Q). Owing to the large-scale production and [...] Read more.

The antioxidant N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine (6PPD) is widely incorporated into tires to extend their service life. However, in the presence of ozone, it is readily transformed into N-(1,3-dimethylbutyl)-N′-phenyl-p-benzoquinone (6PPD-Q). Owing to the large-scale production and widespread utilization of rubber-related products, 6PPD-Q is continuously released into the environment with tire and road wear particles, becoming ubiquitous across multiple environmental compartments. It possesses bioaccumulation potential and exhibits significant toxicity, while multiple exposure pathways enable it to enter human body, posing risks to public health. This review summarizes the environmental distribution of 6PPD-Q in atmospheric, aquatic, and terrestrial systems, and examines key factors influencing its occurrence, including precipitation patterns, traffic characteristics, sunlight, and particle size. The toxicological effects of 6PPD-Q are also discussed. Based on these findings, a comprehensive management framework encompassing “source reduction—process regulation—end-of-pipe treatment” is proposed. Finally, current knowledge gaps are identified and future research directions are highlighted. Full article

(This article belongs to the Special Issue Occurrence, Fate, Bioaccumulation and Toxic Effects of 6PPDQ)

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15 pages, 1564 KB

Open AccessCommunication

Preliminary Identification of PFAS and Other Emerging Contaminants in the French Broad River, NC Post-Hurricane Helene

by Imari Walker-Franklin, Samantha Blake, Evan Thorp and Shea Tuberty

Toxics 2025, 13(11), 905; https://doi.org/10.3390/toxics13110905 (registering DOI) - 22 Oct 2025

Hurricanes are increasingly impacting inland water systems, yet their role in mobilizing anthropogenic contaminants remains insufficiently characterized. This study presents a preliminary assessment of organic contaminant loading in the French Broad River, North Carolina, 15 days after flooding from Hurricane Helene. Surface water [...] Read more.

Hurricanes are increasingly impacting inland water systems, yet their role in mobilizing anthropogenic contaminants remains insufficiently characterized. This study presents a preliminary assessment of organic contaminant loading in the French Broad River, North Carolina, 15 days after flooding from Hurricane Helene. Surface water samples from five sites were analyzed using liquid chromatography–high-resolution mass spectrometry. Targeted analysis quantified 11 per- and polyfluoroalkyl substances (PFASs), with summed concentrations ranging from 1.49 to 70.8 ng/L. One downstream site exhibited the highest burden, where PFOSs and PFOA exceeded U.S. EPA drinking water maximum contaminant levels. Non-targeted analysis (NTA) and suspect screening identified 468 compounds, with 96 structurally annotated at high confidence. Of these, a large proportion were associated with medium to high hazard potential, particularly for acute aquatic toxicity (69%), developmental toxicity (64%), mutagenic genotoxicity (49%), endocrine disruption (35%), skin irritation (27%), eye irritation (26%), and carcinogenicity (17%). Four EPA priority pollutants—4-nitrophenol, 2,4,6-trichlorophenol, pentachlorophenol, and dibutyl phthalate—were also detected. Site-specific chemical profiles suggested inputs from flood-damaged wastewater infrastructure and plastic debris. These findings highlight the susceptibility of freshwater systems to contaminant mobilization during extreme flooding and demonstrate the value of combining NTA and cheminformatics for post-disaster monitoring. Full article

(This article belongs to the Special Issue State-of-the-Art Environmental Chemical Exposomics and Metabolomics—2nd Edition)

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11 pages, 6975 KB

Open AccessArticle

Dissolution of Microparticles of Cadmium, Lead and Thallium in Water

by Gennadii L. Bykov and Boris G. Ershov

Toxics 2025, 13(11), 904; https://doi.org/10.3390/toxics13110904 (registering DOI) - 22 Oct 2025

Anthropogenic activity seriously damages the environment. Cadmium, lead, and thallium are toxic elements that are especially hazardous for nature. In polluted air, they are present in the form of microparticles 2–3 μm in size and belong to the PM_2.5 fraction. Such particles [...] Read more.

Anthropogenic activity seriously damages the environment. Cadmium, lead, and thallium are toxic elements that are especially hazardous for nature. In polluted air, they are present in the form of microparticles 2–3 μm in size and belong to the PM_2.5 fraction. Such particles can be transported over long distances, penetrate into water and dissolve, and then enter the food chain. This poses a severe threat to human and animal health due to the bioaccumulation of metals. Therefore, it is important to study the properties of toxic metals of this size. In this work, we developed a radiation–chemical method for obtaining microparticles of cadmium, lead, and thallium corresponding to the PM_2.5 fraction and studied their properties in aqueous solutions. In the absence of oxygen, the metals do not dissolve. Over time, they agglomerate and settle. When exposed to air, the particles quickly dissolve in water, usually within a few minutes. This process involves the disappearance of small particles and a decrease in the size of larger ones. The rate of dissolution increases in the Pb-Cd-Tl series. Cadmium dissolves approximately 4–5 times faster than lead, and thallium more than 10 times faster. Acidification of water accelerates this process. Studying the properties of microparticles of heavy metals is important for assessing their migration in the environment, health risks, and developing methods for preventing pollution. Full article

(This article belongs to the Section Metals and Radioactive Substances)

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28 pages, 10777 KB

Open AccessArticle

Molecular Determinants of Per- and Polyfluoroalkyl Substances Binding to Estrogen Receptors

by Sahith Mada, Samuel Jordan, Joshua Mathew, Coby Loveranes, James Moran, Harrish Ganesh and Sivanesan Dakshanamurthy

Toxics 2025, 13(11), 903; https://doi.org/10.3390/toxics13110903 (registering DOI) - 22 Oct 2025

Per- and polyfluoroalkyl substances (PFAS) are environmentally persistent organofluorines linked to cancer, organ dysfunction, and other health problems. This study used quantitative structure–property relationship (QSPR) and quantitative structure–activity relationship (QSAR) modeling to examine the binding of PFAS to estrogen receptor alpha (ERα) and [...] Read more.

Per- and polyfluoroalkyl substances (PFAS) are environmentally persistent organofluorines linked to cancer, organ dysfunction, and other health problems. This study used quantitative structure–property relationship (QSPR) and quantitative structure–activity relationship (QSAR) modeling to examine the binding of PFAS to estrogen receptor alpha (ERα) and beta (ERβ). Molecular docking of 14,591 PFAS compounds was performed, and docking scores were used as a measure of receptor affinity. QSPR models were built for two datasets: the ERα and ERβ top binders (TBs), and a set of commonly exposed (CE) PFAS. These models quantified how chemical descriptors influence binding affinity. Across the models, higher density and electrophilicity indicated positive correlations with affinity, while surface tension indicated negative correlations. Electrostatic descriptors, including HOMO energy and positive Fukui index (F⁺ max), were part of the models but showed inconsistent trends. The CE QSPR models displayed correlations that conflicted with those of the TB models. Following QSPR analysis, 66 QSAR models were developed using a mix of top binders and experimental data. These models achieved strong performance, with R² values averaging 0.95 for training sets and 0.78 for test sets, that indicated reliable predictive ability. To improve generalizability, large-set QSAR models were created for each receptor. After outlier removal, these models reached R² values of 0.68–0.71, which supports their use in screening structurally diverse PFAS. Overall, QSPR and QSAR analyses reveal key chemical features that influence PFAS–ER binding. This predictive approach provides a scalable framework to assess the binding interactions of structurally diverse PFAS to ERs and other nuclear receptors. All the codes, data, and the GUI visualization of the results are freely available at sivaGU/QSPR-QSAR-Molecular-Visualization-Tool. Full article

(This article belongs to the Collection Predictive Toxicology)

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10 pages, 473 KB

Open AccessArticle

Framework for In Silico Toxicity Screening of Novel Odorants

by Isaac Mohar, Brad C. Hansen, Destiny M. Hollowed and Joel D. Mainland

Toxics 2025, 13(10), 902; https://doi.org/10.3390/toxics13100902 - 21 Oct 2025

Toxicological risk assessment of chemicals without experimental toxicity data often relies on in silico predictions. However, models designed to predict inhalation toxicity associated with exposure to volatile chemicals in solution are unavailable. The aim of this research was to develop an approach to [...] Read more.

Toxicological risk assessment of chemicals without experimental toxicity data often relies on in silico predictions. However, models designed to predict inhalation toxicity associated with exposure to volatile chemicals in solution are unavailable. The aim of this research was to develop an approach to estimate toxicology-based maximum solution concentrations for novel odorants using in silico structure-based predictions. The decision trees were adapted from established open-source models for assessing mutagenicity (rule-based, ISS in vitro mutagenicity decision tree) and systemic toxicity (revised Cramer decision tree). These were implemented using Toxtree (v3.1.0), a freely available program. Thresholds of toxicologic concern (TTC) were then assigned based on the predicted hazard classification. We then used predicted vapor pressure derived from MPBPWIN™ using US EPA EPI Suite to calculate a solution concentration where inhalation exposure to a defined headspace volume would not exceed the TTC. The approach was evaluated using a published dataset of 143 chemicals with repeat exposure inhalation toxicity data, yielding health-protective predictions for 98.6% of the test set. This demonstrates that the proposed in silico approach enables the estimation of safe toxicology-based maximum solution concentrations for chemicals using open-source models and software. Full article

(This article belongs to the Collection Predictive Toxicology)

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18 pages, 4018 KB

Open AccessArticle

Concentration-Dependent Effects of Polyethylene Microplastics on Cadmium and Lead Bioavailability in Soil

by Zhenbo Wang, Sihan Liu, Peng Zhao, Guangxin Li, Ran Duan, Chang Li and Haichao Fu

Toxics 2025, 13(10), 901; https://doi.org/10.3390/toxics13100901 - 21 Oct 2025

The influence of microplastics (MPs) on the availability of soil heavy metals (HMs) is a current research hotspot, but how MPs regulate HM availability via soil properties and the bacterial community remains unclear. This study investigated the effects of polyethylene (PE) MP concentrations [...] Read more.

The influence of microplastics (MPs) on the availability of soil heavy metals (HMs) is a current research hotspot, but how MPs regulate HM availability via soil properties and the bacterial community remains unclear. This study investigated the effects of polyethylene (PE) MP concentrations on soil properties, bacterial communities, surface chemistry, and the speciation of cadmium (Cd) and lead (Pb) through soil incubation. Results indicated that as PE MP concentration increased, soil pH and cation exchange capacity declined, while organic carbon concentration increased. Available phosphorus and alkali–hydrolyzable nitrogen concentrations increased at 0.1% and 1% PE MPs, but decreased at 10% PE MPs. Bacterial community indices, including Simpson, ACE, and Chao1, increased at 0.1% and 1% PE MPs but decreased at 10% PE MPs. PE MPs (0.1% and 1%) reduced DTPA–Cd/Pb, promoting their transformation into stable forms and surface complexation with oxygen–containing groups. In contrast, 10% PE MPs disrupted the formation of PbO, PbCO₃, and Cd(OH)₂, producing the opposite effect. The random forest model revealed that soil organic carbon and available phosphorus were the primary factors influencing DTPA–Pb and DTPA–Cd, respectively. Partial least squares path modeling demonstrated that PE MPs altered the physicochemical characteristics of soil and structure of bacterial communities, ultimately impacting transformation of Cd and Pb speciation, with these changes being highly dependent on PE MP concentration. Full article

(This article belongs to the Special Issue Transformation Process and Toxic Effects of Pollutants in Agricultural Environment)

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20 pages, 2509 KB

Open AccessArticle

Potential Risks to Human Health Caused by the Use of Pesticides in Soils of Three Municipalities Impacted by Localized Malaria in the Brazilian Amazon

by Letícia Furtado dos Santos, Ricardo Jorge Amorim de Deus, Izis Mônica Carvalho Sucupira, Davi do Socorro Barros Brasil and Rosivaldo de Alcântara Mendes

Toxics 2025, 13(10), 900; https://doi.org/10.3390/toxics13100900 - 21 Oct 2025

Dichlorodiphenyltrichloroethane (DDT), used in the 20th century to combat malaria, is considered harmful to health and the environment. As an alternative, insecticides such as pyrethroids have been used, especially alphacypermethrin, which is applied in mosquito nets impregnated with long-lasting insecticide (LLIN). This study [...] Read more.

Dichlorodiphenyltrichloroethane (DDT), used in the 20th century to combat malaria, is considered harmful to health and the environment. As an alternative, insecticides such as pyrethroids have been used, especially alphacypermethrin, which is applied in mosquito nets impregnated with long-lasting insecticide (LLIN). This study analyzed the concentrations of DDT and alphacypermethrin in soils from three municipalities in the Legal Amazon (Mazagão, Porto Velho, and Cantá) using gas chromatography. The results showed the presence of DDT and metabolites, indicating slow degradation in the region, especially in Cantá, with an average of 2.694 mg/kg of total DDT. Alphacypermethrin stands out in Porto Velho, with an average of 0.364 mg/kg, possibly due to the use of LLINs. DDT did not represent a significant ecological risk in this study, but it did present risks to human health, mainly through food intake. The incremental lifetime cancer risk (ILCR) indicated potential danger, with values of up to 2.93 × 10⁻³ for DDT and 1.17 × 10⁻¹ for alphacypermethrin. The total non-carcinogenic risk index (HI) was extreme, with a maximum value of 336.61. The pesticides evaluated did not present an ecological risk, but they do pose risks to human health, indicating irregular use of LLINs and the need for continuous monitoring. Full article

(This article belongs to the Special Issue Emerging Environmental Pollutants and Their Impact on Human Health)

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21 pages, 1366 KB

Open AccessArticle

Robotic and On-Flow Solid Phase Extraction Coupled with LC-MS/MS for Simultaneous Determination of 16 PPCPs: Real-Time Monitoring of Wastewater Effluent in Korea

by Sook-Hyun Nam, Homin Kye, Juwon Lee, Eunju Kim, Jae-Wuk Koo, Jeongbeen Park, Yonghyun Shin, Jonggul Lee and Tae-Mun Hwang

Toxics 2025, 13(10), 899; https://doi.org/10.3390/toxics13100899 - 20 Oct 2025

Pharmaceuticals and personal care products (PPCPs) are recognized as emerging contaminants of concern, even at ultra-trace concentrations. However, the current detection systems are prohibitively expensive and typically rely on labor-intensive, lab-based workflows that lack automation in sample pretreatment. In this study, we developed [...] Read more.

Pharmaceuticals and personal care products (PPCPs) are recognized as emerging contaminants of concern, even at ultra-trace concentrations. However, the current detection systems are prohibitively expensive and typically rely on labor-intensive, lab-based workflows that lack automation in sample pretreatment. In this study, we developed a robotic and on-flow solid-phase extraction (ROF-SPE) system, fully integrated with online liquid chromatography-tandem mass spectrometry (LC-MS/MS), for the on-site and real-time monitoring of 16 PPCPs in wastewater effluent. The system automates the entire pretreatment workflow—including sample collection, filtration, pH adjustment, solid-phase extraction, and injection—prior to seamless coupling with LC–MS/MS analysis. The optimized pretreatment parameters (pH 7 and 10, 12 mL wash volume, 9 mL elution volume) were selected for analytical efficiency and cost-effectiveness. Compared with conventional offline SPE methods (~370 min), the total analysis time was reduced to 80 min (78.4% reduction), and parallel automation significantly enhanced the throughput. The system was capable of quantifying target analytes at concentrations as low as 0.1 ng/L. Among the 16 PPCPs monitored at a municipal wastewater treatment plant in South Korea, only sulfamethazine and ranitidine were not detected. Compounds such as iopromide, caffeine, and paraxanthine were detected at high concentrations, and seasonal variation patterns were also observed This study demonstrates the feasibility of a fully automated and on-site SPE pretreatment system for ultra-trace environmental analysis and presents a practical solution for the real-time monitoring of contaminants in remote areas. Full article

(This article belongs to the Special Issue Advances in Monitoring, Transformation and Ecological Risk Assessment of Pharmaceuticals and Personal Care Products in Aquatic Environments)

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23 pages, 473 KB

Open AccessArticle

Perinatal Exposure to Heavy Metals and Trace Elements of Preterm Neonates in the NICU: A Toxicological Study Using Multiple Biomatrices

by Melda Celik, Irem Iyigun, Siddika Songül Yalcin, Murat Cagan, Deniz Arca Cakir, Hasan Tolga Celik, Ozgur Deren and Pinar Erkekoglu

Toxics 2025, 13(10), 898; https://doi.org/10.3390/toxics13100898 - 20 Oct 2025

In this study we aimed to investigate the levels of selected heavy metals and trace elements (Hg, Pb, Cd, As, Mn, Se, and Cu) in three different biomatrices—maternal urine (Mu), neonatal urine (Nu), and cord blood—of preterm newborns born at less than 35 [...] Read more.

In this study we aimed to investigate the levels of selected heavy metals and trace elements (Hg, Pb, Cd, As, Mn, Se, and Cu) in three different biomatrices—maternal urine (Mu), neonatal urine (Nu), and cord blood—of preterm newborns born at less than 35 weeks’ gestation who were staying in the NICU and their mothers, and the relationships of these elements with maternal and neonatal characteristics. Cord Pb, As, and Hg were significantly lower than in Mu, whereas Se and Cu were higher (p < 0.001). All elements were excreted more in Mu than in Nu (p < 0.001). Nu levels of Cd, Mn, Se, and Cu were lower, while As and Hg were higher than in cord blood. Nu metal excretion increased significantly over time (p < 0.001). Positive correlations were found between MuCu and NuCu (r_s = 0.35) and between maternal Se and maternal age (r_s = 0.41). NuHg, MuMn, and cord Mn showed negative correlations with penile length, and NuHg was also negatively correlated with anogenital distance. The first and second NuPb levels were positively correlated with birth weight percentile. The findings suggest transplacental transmission and ongoing exposure to heavy metals and trace elements in preterm infants, highlighting the importance of prenatal environmental exposure awareness for healthcare providers. Full article

(This article belongs to the Section Metals and Radioactive Substances)

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27 pages, 5955 KB

Open AccessArticle

Protective Role of Gallic Acid Against Corticosterone-Induced Hepatic Toxicity: Modulation of Oxidative Stress and Inflammatory Pathways in Wistar Rats

by Priyanka Tiwari, Prabhat Kumar, Saripella Srikrishna, Nikhat Jamal Siddiqi and Bechan Sharma

Toxics 2025, 13(10), 897; https://doi.org/10.3390/toxics13100897 - 20 Oct 2025

Corticosterone (CORT), a key stress hormone, is vital for energy balance, but prolonged exposure causes hyperglycemia, obesity, and hepatotoxicity. Gallic acid (GA), a natural polyphenol with antioxidant and anti-inflammatory properties, was evaluated for its hepatoprotective effects in Wistar rats. This study aimed to [...] Read more.

Corticosterone (CORT), a key stress hormone, is vital for energy balance, but prolonged exposure causes hyperglycemia, obesity, and hepatotoxicity. Gallic acid (GA), a natural polyphenol with antioxidant and anti-inflammatory properties, was evaluated for its hepatoprotective effects in Wistar rats. This study aimed to assess how GA protects against CORT-induced liver toxicity in Wistar rats and to explore its molecular interactions through in silico docking studies. Animals received CORT (15 and 30 mg kg⁻¹ body weight) orally for 21 days, with GA pretreatment in selected groups. Hepatic status was assessed via biochemical assays, molecular markers, histopathology, and in silico docking. CORT significantly increased body weight (15%), blood glucose (1.5-fold), malondialdehyde (MDA; 28%), and protein carbonyls (34%,) with a statistical significance, p < 0.05 and <0.01, while glutathione (41.4% to 52.1%) and antioxidant enzymes were significantly reduced (statistical p-value significance at levels of <0.05, <0.01, and <0.001). GA pretreatment restored glucose MDA, and GSH toward control (p < 0.01), and protected histological injury. Docking studies showed strong GA binding to Keap1 (−6.9 kcal/mol), IKKβ (−6.0 kcal/mol), and COX-1 (−6.2 kcal/mol), supporting its antioxidant and anti-inflammatory action. GA confers significant protection against CORT-induced hepatotoxicity, validated by both in vivo and in silico analyses. Full article

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29 pages, 7216 KB

Open AccessArticle

Thymoquinone Protective Effect Against Mercury-Induced Reproductive Derangement in Rats: In Vivo and In Silico Investigation

by Solomon Owumi, Moses Otunla, Pelumi Akindipe, Uche Arunsi, Jesutosin O. Babalola, Chioma E. Irozuru, Ahmad Altayyar, Bayode Oluwawibe, Olatunde Owoeye and Adegboyega K. Oyelere

Toxics 2025, 13(10), 896; https://doi.org/10.3390/toxics13100896 - 19 Oct 2025

Mercury exposure has been linked to male infertility. Given that mercury chloride (HgCl₂) may promote an oxido-inflammatory milieu associated with pathophysiological derangements, it is hypothesised that Thymoquinone (TQ), an antioxidant and anti-inflammatory agent, may mitigate the gradual harmful effects of mercury [...] Read more.

Mercury exposure has been linked to male infertility. Given that mercury chloride (HgCl₂) may promote an oxido-inflammatory milieu associated with pathophysiological derangements, it is hypothesised that Thymoquinone (TQ), an antioxidant and anti-inflammatory agent, may mitigate the gradual harmful effects of mercury exposure on rat testes, epididymis, and hypothalamus, as these organs are vital to reproductive function. To test this hypothesis, 40 rats (strain: Wistar; sex: male) were randomly assigned to five cohorts of eight rats each. After a 7-day acclimation, treatments were dispensed for 28 consecutive days accordingly: Cohort I: distilled water only, as control; Cohort II: HgCl₂ only (20 µg/mL); Cohort III: TQ only (2.5 mg/kg); Cohort IV: HgCl₂ + TQ (20 µg/mL + 2.5 mg/kg); and Cohort V: HgCl₂ + TQ (20 µg/mL + 5 mg/kg). Co-treatment with TQ preserved the body and organ weight of the HgCl₂ exposed animals. However, TQ did not reduce HgCl₂-induced dysfunction in sperm function and morphology. The serum follicle-stimulating hormone (FSH), luteinising hormone (LH), and testosterone were increased significantly (p < 0.05) by TQ co-treatment, while decreasing the prolactin level. TQ administration also increased (p < 0.05) testicular enzymes, including alkaline phosphatase (ALP), lactate dehydrogenase (LDH), acid phosphatase (ACP), and glucose-6-phosphate dehydrogenase (G6PD) activities, which HgCl₂ decreased. TQ administration increased (p < 0.05) HgCl₂-induced decreases in catalase (CAT), superoxide dismutase (SOD), glutathione peroxidase (GPx), glutathione (GSH), glutathione-s-transferase (GST), and total sulfhydryl group (TSH) levels in the testes, epididymis, and hypothalamus of experimental rats. Further, TQ reduced HgCl₂-mediated increases in RONS-reactive oxygen and nitrogen species; LPO–lipid peroxidation; PC–protein carbonyl formation; and XO–xanthine oxidase activity. Furthermore, levels of inflammatory biomarkers, including tumour necrosis factor alpha (TNF-α), nitric oxide (NO), interleukin-1 beta (IL-1β), and myeloperoxidase (MPO), were decreased (p < 0.05) in the co-treated groups, with a higher dose of TQ (5.0 mg/kg) showing a more pronounced protective effect. Additionally, TQ co-administration increased Bax and decreased Bcl-2 and p53 protein levels (p < 0.05), thereby protecting the rats’ testes, epididymis, and hypothalamus from HgCl₂-induced apoptosis. Molecular docking simulation analysis revealed TQ interaction dynamics with PPAR-α and PPAR-δ to suppress NF-kB-mediated pro-inflammatory sequela as well as activate Nrf-2-mediated antioxidant defence system. These predicted biological effects of TQ resonate with the findings from the in vivo studies. Therefore, supplementation with TQ may help reduce chemical-induced toxicities, including HgCl₂‘s reproductive toxicity. Full article

(This article belongs to the Section Novel Methods in Toxicology Research)

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15 pages, 3248 KB

Open AccessArticle

Toxic Metals in Surface Dust in Underground Parking Garages: Pollution Status, Risk and Disease Burden Assessment, and Source Apportionment

by Yong Wang, Tong Chao, Qidi Li, Zhiqiang Jiao, Xinling Ruan, Yuguang Wang, Shiji Ge and Yangyang Wang

Toxics 2025, 13(10), 895; https://doi.org/10.3390/toxics13100895 - 19 Oct 2025

Surface dust serves as a significant carrier and potential source of various pollutants in urban environments. However, limited attention has been paid to toxic metals in underground parking garages’ (UPGs) surface dust. In this study, thirty surface dust samples were collected from UPGs [...] Read more.

Surface dust serves as a significant carrier and potential source of various pollutants in urban environments. However, limited attention has been paid to toxic metals in underground parking garages’ (UPGs) surface dust. In this study, thirty surface dust samples were collected from UPGs to determine the toxic metals contents, their risk and disease burden to local residents, and their potential source. The mean contents of V, Cr, Co, Ni, Cu, Zn, Cd, Sb, Pb, Hg, and As were 68.06, 126.48, 8.73, 27.68, 76.25, 287.07, 0.74, 4.28, 172.67, 0.24, and 8.66 mg/kg, respectively. Accumulation index revealed that the geoaccumulation index of Cr, Cu, Cd, Zn, Sb, Pb, and Hg ranged from 0.52 to 1.85. Pollution load index verified that the surface dust was slightly (56.67%), moderately (30.00%), or heavily polluted (13.33%). Risk assessment revealed that the total non-carcinogenic risks for children all exceeded the acceptable level (HI > 1.0). Notably, the carcinogenic burden reached 12.9 disability-adjusted life years per 100,000 population, with Cr contributing 84.1%. Furthermore, these toxic metals mainly derived from vehicle-related activities, use of coal, and the aging of decoration materials, and their accumulation in UPGs’ surface dust was almost unaffected by the essential conditions of residential areas. Full article

(This article belongs to the Special Issue Assessment and Remediation of Heavy Metal Contamination in Soil)

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24 pages, 2026 KB

Open AccessArticle

Mixture Effects of Commonly Applied Herbicides on County Level Obesity Rates in the United States: An Exploratory Ecologic Study (2013–2018)

by Sarah Otaru, Laura E. Jones and David O. Carpenter

Toxics 2025, 13(10), 894; https://doi.org/10.3390/toxics13100894 - 19 Oct 2025

Metabolic disorders such as obesity have increased globally in recent decades and are a major public health concern. Previous research suggests that herbicide exposures may contribute to metabolic dysfunction, but few studies have examined mixture effects of multiple herbicides on obesity at a [...] Read more.

Metabolic disorders such as obesity have increased globally in recent decades and are a major public health concern. Previous research suggests that herbicide exposures may contribute to metabolic dysfunction, but few studies have examined mixture effects of multiple herbicides on obesity at a population level. Using county-level data from 2013 to 2018, we examined the associations between obesity rates and the application of 13 commonly applied herbicides in the U.S. We first conducted adjusted single-pollutant mixed-effects models and then used quantile-based g-computation mixture modeling to assess combined herbicide mixture effects on county-level obesity rates. Models were adjusted for demographic and socioeconomic covariates and accounted for geographic clustering. Significant positive associations were identified between county-level obesity rates and applications of glyphosate, 2,4-D, atrazine, acetochlor, metolachlor, and several other herbicides in adjusted single-pollutant models. Glyphosate showed one of the strongest individual associations (β = 0.29 per standard deviation increase, 95% CI: 0.21–0.36). Increases in herbicide mixture were significantly associated with higher obesity rates (Psi = 0.71 per quantile exposure mixture, 95% CI: 0.65–0.76) from mixture modeling. Inclusion of significant interaction terms did not appreciably increase the mixture effect. Glyphosate, 2,4-D, metolachlor, dimethenamid-P, and glufosinate contributed most strongly to the weighted mixture effect. Mixture effects varied by rurality, with stronger associations observed in rural counties, particularly in micropolitan regions. Our findings highlight the importance of considering cumulative herbicide mixture exposures rather than individual chemicals in isolation. The observed rural–urban disparities emphasize the need for targeted public health interventions and policy actions in rural communities, which may be particularly vulnerable to the adverse metabolic impacts of herbicide mixtures. Full article

(This article belongs to the Section Human Toxicology and Epidemiology)

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18 pages, 1645 KB

Open AccessArticle

An In-Hospital Mortality Prediction Model for Acute Pesticide Poisoning in the Emergency Department

by Yoonseo Jeon, Da-Eun Kim, Inyong Jeong, Se-Jin Ahn, Nam-Jun Cho, Hyo-Wook Gil and Hwamin Lee

Toxics 2025, 13(10), 893; https://doi.org/10.3390/toxics13100893 - 18 Oct 2025

Pesticide poisoning remains a significant public health issue, characterized by high morbidity and mortality, particularly among patients presenting to the emergency department. This study aimed to develop a 14-day in-hospital mortality prediction model for patients with acute pesticide poisoning using early clinical and [...] Read more.

Pesticide poisoning remains a significant public health issue, characterized by high morbidity and mortality, particularly among patients presenting to the emergency department. This study aimed to develop a 14-day in-hospital mortality prediction model for patients with acute pesticide poisoning using early clinical and laboratory data. This retrospective cohort study included 1056 patients who visited Soonchunhyang University Cheonan Hospital between January 2015 and December 2020. The cohort was randomly divided into train (n = 739) and test (n = 317) sets using stratification by pesticide type and outcome. Candidate predictors were selected based on univariate Cox regression, LASSO regularization, random forest feature importance, and clinical relevance derived from established prognostic scoring systems. Logistic regression models were constructed using six distinct feature sets. The best-performing model combined LASSO-selected and clinically curated features (AUC 0.926 [0.890–0.957]), while the final model—selected for interpretability—used only LASSO-selected features (AUC 0.923 [0.884–0.955]; balanced accuracy 0.835; sensitivity 0.843; specificity 0.857; F1.5 score 0.714 at threshold 0.450). SHapley Additive exPlanations (SHAP) analysis identified paraquat ingestion, Glasgow Coma Scale, bicarbonate level, base excess, and alcohol history as major mortality predictors. The proposed model outperformed the APACHE II score (AUC 0.835 [0.781–0.888]) and may serve as a valuable tool for early risk stratification and clinical decision making in pesticide-poisoned patients. Full article

(This article belongs to the Special Issue Hazardous Effects of Pesticides on Human Health—2nd Edition)

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14 pages, 1904 KB

Open AccessArticle

Occurrence, Dominance, and Combined Use of Antibiotics in Aquaculture Ponds

by Emmanuel Bob Samuel Simbo, Zhiyuan Ma, Longxiang Fang, Sampa Morgan, Sahr Lamin Sumana, Meshack Chubwa Maguru, Mbonyiwe Chakanga, Haggai Gondwe, Alpha Thaimu Bundu, Liping Qiu, Chao Song and Shunlong Meng

Toxics 2025, 13(10), 892; https://doi.org/10.3390/toxics13100892 - 18 Oct 2025

Antibiotic use in aquaculture has become widespread to sustain production and control bacterial diseases, but it poses significant ecological and human health risks due to residue accumulation and resistance development. This study investigated the occurrence, dominance, and combined use of sulfonamide and fluoroquinolone [...] Read more.

Antibiotic use in aquaculture has become widespread to sustain production and control bacterial diseases, but it poses significant ecological and human health risks due to residue accumulation and resistance development. This study investigated the occurrence, dominance, and combined use of sulfonamide and fluoroquinolone antibiotics in freshwater fish aquaculture ponds around Wuxi, China. Here, the term aquaculture refers specifically to the controlled farming of freshwater fish species such as carp and crucian carp in managed pond systems. A total of 80 water samples (collected exclusively from pond waters) were obtained from 40 ponds during the high intensity rearing and harvest stage of fish. Residues of enrofloxacin and sulfonamide antibiotics were analyzed using a validated LC–MS/MS method with detection limits in the low nanogram-per-liter range. Results revealed that antibiotics were ubiquitous in pond waters, with enrofloxacin emerging as the dominant compound in August, reaching concentrations of up to 2.36 µg/L. By October, sulfonamides, particularly sulfamethoxazole and sulfadiazine, became more prevalent, with a maximum sulfadiazine concentration exceeding 4 µg/L. Multivariate analyses demonstrated a clear seasonal shift in antibiotic profiles, while correlation analyses indicated limited combined use in summer but notable co-occurrence of sulfonamides in autumn. These findings underscore that antibiotic application patterns in aquaculture are strongly linked to production stages, with potential consequences for environmental safety, resistance development, and food security. Effective monitoring, stricter regulation, and alternative disease management strategies are urgently required to mitigate risks and promote sustainable aquaculture practices. Full article

(This article belongs to the Special Issue Ecotoxicology of Pollutants of High Concern)

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17 pages, 2266 KB

Open AccessArticle

Trace Metals in Amazonian Rivers Sediments from Northern Brazil: Spatial-Temporal Variations, Sources, and Ecological Risks

by Larissa Costa de Souza, Camila Carneiro dos Santos, Neuton Trindade Vasconcelos Júnior, Kelson do Carmo Freitas Faial, José Augusto Martins Corrêa and Rosivaldo de Alcântara Mendes

Toxics 2025, 13(10), 891; https://doi.org/10.3390/toxics13100891 - 18 Oct 2025

Trace metal pollution has become an increasing concern in urban areas, mainly due to industrial activities and heightened human activities near water bodies. This study aimed to quantify the level of pollution caused by the trace metals Co, Cr, Cu, Mn, Ni, and [...] Read more.

Trace metal pollution has become an increasing concern in urban areas, mainly due to industrial activities and heightened human activities near water bodies. This study aimed to quantify the level of pollution caused by the trace metals Co, Cr, Cu, Mn, Ni, and Zn in surface sediments of Aurá and Guamá rivers, as well as Guajará Bay, in the metropolitan region of Belém (Northern Brazil). A total of 33 sediment samples were collected—14 from the Aurá River, 7 from the Guamá River, and 12 from Guajará Bay—during both the wet and dry seasons to capture seasonal variability. The studied trace metals were measured through inductively coupled plasma optical emission spectrometry (ICP-OES), and the decreasing order of concentration detected was the following: Mn > Zn > Cr > Ni > Co > Cu. To assess the degree of pollution, three geochemical indicators were employed: the Geoaccumulation Index (Igeo), which compares observed concentrations with natural background levels to classify contamination severity; the Enrichment Factor (EF), which helps distinguish between natural and anthropogenic sources of metals using a reference element (typically aluminum or iron); and the Mean-ERM-Quotient, which evaluates the potential ecotoxicological risk of the metals based on benchmark values for adverse effects on aquatic organisms. Based on these indicators, the sediments of the studied area can be classified as showing “moderate contamination and enrichment”. The metals Zn and Cu exhibited the highest degrees of enrichment, likely of anthropogenic origin. Overall, this study revealed that areas closer to sites of intense human activity are more susceptible to trace metal contamination, especially during the wet season. Frequent monitoring of areas classified as “contaminated” and time-series data are necessary to examine more deeply the pollution of river sediments and their potential changes concerning shifts in the status of urbanization and industrialization. Full article

(This article belongs to the Section Metals and Radioactive Substances)

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15 pages, 3962 KB

Open AccessArticle

Removal Efficiency and Mechanism for Cl⁻ from Strongly Acidic Wastewater by VC-Assisted Cu₂O: Comparison Between Synthesis Methods

by Ying Yu, Dong Li, Jialin Ma, Zhoujing Yan, Haoran Liu, Wenyue Dou and Haotian Hao

Toxics 2025, 13(10), 890; https://doi.org/10.3390/toxics13100890 - 17 Oct 2025

The discharge of strongly acidic industrial wastewater containing high concentration of chloride ions (Cl⁻) has become one of the major environmental challenges faced globally. For the removal of extremely stable Cl⁻ in acidic aqueous conditions, precipitation method possesses major advantages [...] Read more.

The discharge of strongly acidic industrial wastewater containing high concentration of chloride ions (Cl⁻) has become one of the major environmental challenges faced globally. For the removal of extremely stable Cl⁻ in acidic aqueous conditions, precipitation method possesses major advantages of strong adaptability and simple operation. This study proposed a novel cuprous oxide (Cu₂O) method assisted by ascorbic acid (VC) for the removal of Cl⁻ from strongly acidic wastewater. First, liquid-phase reduction was chosen as the optimal Cu₂O synthesis method based on product purity and composition. Then, parameter optimization results show that increased reagent dosage and acidity significantly enhanced Cl⁻ removal efficiency, while other factors had negligible impacts. After treatment with the sole addition of Cu₂O, the dosed Cu₂O existed in four forms, including cuprous chloride (CuCl), copper ion (Cu²⁺), elemental copper (Cu⁰), and Cu₂O, among which the generation of Cu²⁺ and Cu⁰, through the oxidation and disproportionation of cuprous ion (Cu⁺), served as the main reason for the unsatisfactory efficiency in the removal of Cl⁻. Fortunately, VC is precisely capable of inhibiting the side reactions of Cu⁺, and under the assistance of 0.10 g VC, the removal of Cl⁻ by Cu₂O was greatly improved with the multiple of theoretical reagent dosage decreasing from 12 to 3, the residual concentration of Cu²⁺ decreasing from 1197 to 18.4 mg/L and the residual concentration of Cl⁻ decreasing from 88.4 to 53.8 mg/L, thus validating the feasibility of this method. Full article

(This article belongs to the Special Issue Advances in Remediation of Environmental Pollutants in Soil-Water System)

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27 pages, 3674 KB

Open AccessArticle

Advanced Catalytic Peroxymonosulfate Activation via Zeolite-Supported Cu₃Mn-Layered Double Hydroxide for Enhanced Oxidative Degradation of Bisphenol A (BPA)

by Qiuyi Li, Chongmin Liu, Meina Liang, Mi Feng, Zejing Xu, Dunqiu Wang and Saeed Rad

Toxics 2025, 13(10), 889; https://doi.org/10.3390/toxics13100889 - 17 Oct 2025

The widespread presence of bisphenol A (BPA), a persistent endocrine-disrupting pollutant, in aquatic environments poses significant ecological and health risks, necessitating its effective removal. However, conventional remediation technologies are often hampered by catalysts with narrow pH adaptability and poor stability. In this study, [...] Read more.

The widespread presence of bisphenol A (BPA), a persistent endocrine-disrupting pollutant, in aquatic environments poses significant ecological and health risks, necessitating its effective removal. However, conventional remediation technologies are often hampered by catalysts with narrow pH adaptability and poor stability. In this study, a novel catalyst, Zeolite-supported Cu₃Mn-layered double hydroxide (LDH), was fabricated using the co-precipitation method. The synthesized catalyst was applied to activate peroxymonosulfate (PMS), effectively enabling decomposition of BPA by advanced oxidation processes. The composite material was characterized by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and transmission electron microscopy (TEM), which confirmed the successful synthesis of the zeolite-supported Cu₃Mn-LDH. The catalyst exhibited high activity in both neutral and strongly alkaline environments, achieving complete degradation of 10 mg⋅L⁻¹ bisphenol A (BPA) within 40 min and a 98% total organic carbon (TOC) removal rate when both the PMS and catalyst were dosed at 0.15 g⋅L⁻¹. Singlet oxygen was detected as the primary reactive species responsible for BPA degradation, as verified by quenching experiments and EPR analysis, which also identified the presence of sulfate (SO₄^•−), hydroxyl (•OH), and superoxide (•O₂⁻) radicals. The catalyst exhibited excellent reusability, maintaining high catalytic efficiency over two consecutive cycles with minimal performance loss. Gas chromatography-mass spectrometry (GC-MS) analysis revealed five intermediate products, enabling the proposal of potential BPA degradation pathways. This work not only presents a novel synthetic approach for zeolite-supported LDH composites, but also offers a promising strategy for the efficient removal of BPA from aqueous systems through AOPs. Full article

(This article belongs to the Section Toxicity Reduction and Environmental Remediation)

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12 pages, 631 KB

Open AccessReview

Neurotoxic Effects of Bisphenol (BPA): Mini-Reviews

by Luciana Veras de Aquino Figueirôa, Tiago da Silva Teófilo, Jael Soares Batista, Ana Caroline Maia Oliveira Ramos, Gustavo Coringa de Lemos, Salvador Viana Gomes Junior, Guilherme Braga Silva Lima, Jose Leonilson Feitosa, Ana Beatriz da Silva, Larissa Nayara de Souza, Roque Ribeiro da Silva Júnior, Maria Irany Knackfuss, Edson Fonseca Pinto, Ellany Gurgel Cosme do Nascimento, Thales Allyrio Araújo de Medeiros Fernandes and Fausto Pierdoná Guzen

Toxics 2025, 13(10), 888; https://doi.org/10.3390/toxics13100888 - 17 Oct 2025

Introduction: Bisphenol A (BPA) is a synthetic compound widely used in plastics and epoxy resins, and human exposure is virtually unavoidable. Numerous studies indicate that even doses below current regulatory limits may elicit neurotoxic effects, impairing learning, memory, and synaptic plasticity. Methodology: This [...] Read more.

Introduction: Bisphenol A (BPA) is a synthetic compound widely used in plastics and epoxy resins, and human exposure is virtually unavoidable. Numerous studies indicate that even doses below current regulatory limits may elicit neurotoxic effects, impairing learning, memory, and synaptic plasticity. Methodology: This mini-review. Searches were conducted in PubMed, the Virtual Health Library (VHL/BVS), and ScienceDirect, using MeSH descriptors related to “Bisphenol A,” “Neurotoxicity Syndromes,” “Central Nervous System,” and “Prefrontal Cortex,” combined with Boolean operators. We included studies published between 2007 and 2025, available in English, Portuguese, or Spanish, and focused on the neurotoxic effects of BPA. After screening and application of the eligibility criteria, twelve articles were selected. Results: The analyzed studies show that BPA exposure, even at low concentrations, compromises neuronal survival, dendritic density, and synaptic plasticity. In animal models, cognitive deficits were observed in memory and learning tasks, associated with increased oxidative stress and alterations in molecular pathways such as AMPK, HO-1, and nNOS/Keap1/Nrf2. In cell cultures, BPA induced apoptosis, autophagy dysfunction, cytoskeletal reorganization, and loss of synaptic proteins. The effects were dose-dependent and, in some cases, sex-dependent. Conclusions: BPA exhibits significant neurotoxic potential, affecting both the development and function of the central nervous system. These findings underscore the need to revise current safety limits and reinforce the importance of public policies regulating BPA use, as well as encouraging the search for safer alternatives. Full article

(This article belongs to the Section Neurotoxicity)

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13 pages, 2253 KB

Open AccessArticle

Genetic Damage to Human Lymphocytes Induced by Contaminated Water in Populations Surrounding Lake Chapala and the Santiago River, Jalisco, México

by Mónica Reynoso-Silva, Carlos Alvarez-Moya, Fernando Manuel Guzmán-Rubio, Daniela Guadalupe Velázquez-Cruz, Daniel Moreno-Del Río, Blanca Catalina Ramírez-Hernández, Lucía Barrientos-Ramírez, José de Jesús Vargas-Radillo, Paulina Beatriz Gutiérrez-Martínez and Mario Alberto Ruíz-López

Toxics 2025, 13(10), 887; https://doi.org/10.3390/toxics13100887 - 17 Oct 2025

Polluted water in the Chapala–Santiago basin (CSB) contains several genotoxic substances that present risks to human health, particularly among residents of communities surrounding Lake Chapala and the Santiago River, where a high prevalence of cancer has been documented. For this reason, it is [...] Read more.

Polluted water in the Chapala–Santiago basin (CSB) contains several genotoxic substances that present risks to human health, particularly among residents of communities surrounding Lake Chapala and the Santiago River, where a high prevalence of cancer has been documented. For this reason, it is necessary to study the genotoxic activity of these waters and the genetic damage in inhabitants of the surrounding populations. This study assessed the genotoxicity of water in various communities in the CSB and evaluated DNA damage to lymphocytes in residents of nearby locations. The alkaline comet assay was employed to evaluate water genotoxicity and DNA damage to lymphocytes in residents living near these waters. A standardized questionnaire was distributed to participants of this study to evaluate their exposure to polluted water. Significant genotoxic activity (p < 0.05) was observed in the lymphocytes of individuals exposed to contaminated water (tail length in Puente Grande 27.88 ± 5.4 compared to 3.77 ± 1.64 of negative control), along with notable DNA damage (p ≤ 0.05) to the lymphocytes of residents living in proximity to these waters (tail length in Juanacatlán 12.3 ± 3.4 compared to 1.4 ± 0.74 of negative control). The waters of the CSB possess the capacity to cause DNA damage; meanwhile, genotoxicity increases from Chapala to El Salto due to the additional input of genotoxic contaminants, thereby elevating the cancer risk for the exposed population. The comet test proved to be a useful tool that allowed data to be obtained quickly and reliably. Full article

(This article belongs to the Topic Aquatic Emerging Contaminants and Their Ecotoxicological Consequences, 2nd Edition)

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